General

Profile

Ramon Guixa-Gonzalez

Issues

Activity

09/21/2019

02:03 PM GROMACS Bug #2867: abnormal box fluctuations on GPUs still there
Berk Hess wrote:
> Thanks everyone for their help!
>
> This was one of the hardest issue to track down. What put ...

08/23/2019

05:26 PM GROMACS Bug #2867: abnormal box fluctuations on GPUs still there
Berk Hess wrote:
> I haven't seen crashes yet.
>
> I think I tried all combinations of thermostats and barostats....

08/22/2019

10:46 PM GROMACS Bug #2867: abnormal box fluctuations on GPUs still there
Hey all, well I checked this run I started a few days ago and, as I expected, the system collapse after almost 600 ns...

08/14/2019

05:56 PM GROMACS Bug #2867: abnormal box fluctuations on GPUs still there
Alexander Vogel wrote:
> Now at 1 microsecond without problems.
Alexander Vogel wrote:
> Now at 1 microsecond ...

06/21/2019

12:35 PM GROMACS Bug #2845: critical box fluctuations when using GPUs
David van der Spoel wrote:
> Isn't this just the result of having a too short tau_P (5 ps) with semiisotropic scalin...

06/11/2019

11:51 AM GROMACS Bug #2845: critical box fluctuations when using GPUs
Berk Hess wrote:
> I ran a GPU simulation from the checkpoint you provided and started runs from a later checkpoint ...
11:30 AM GROMACS Bug #2845: critical box fluctuations when using GPUs
Berk Hess wrote:
> I missed that you had uploaded checkpoint files two weeks ago. I have reproduced the issue and ha...
11:29 AM GROMACS Bug #2845: critical box fluctuations when using GPUs
David van der Spoel wrote:
> Isn't this just the result of having a too short tau_P (5 ps) with semiisotropic scalin...

05/21/2019

12:41 PM GROMACS Bug #2845: critical box fluctuations when using GPUs
In addition, I decided to run a different system (different protein and completely different membrane composition) to...
12:30 PM GROMACS Bug #2845: critical box fluctuations when using GPUs
Berk Hess wrote:
> So it doesn't seem to be clear yet that there is an actual code issue here. It could be that the ...

Also available in: Atom